3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide

C24H29N3O — CID 66815460

IUPAC3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
SMILESCCCCCN(C)c1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H29N3O/c1-3-4-7-16-27(2)22-13-10-19(11-14-22)12-15-24(28)26-21-17-20-8-5-6-9-23(20)25-18-21/h5-6,8-11,13-14,17-18H,3-4,7,12,15-16H2,1-2H3,(H,26,28)
InChIKeyYJQDIYGFOIDCJI-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.43
Rot. Bonds9

About 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide

3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide (PubChem CID 66815460) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
PubChem CID66815460
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
SMILESCCCCCN(C)c1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H29N3O/c1-3-4-7-16-27(2)22-13-10-19(11-14-22)12-15-24(28)26-21-17-20-8-5-6-9-23(20)25-18-21/h5-6,8-11,13-14,17-18H,3-4,7,12,15-16H2,1-2H3,(H,26,28)
InChIKeyYJQDIYGFOIDCJI-UHFFFAOYSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide (CID 66815460) is 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide is CCCCCN(C)c1ccc(CCC(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide?
The InChIKey is YJQDIYGFOIDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-3-4-7-16-27(2)22-13-10-19(11-14-22)12-15-24(28)26-21-17-20-8-5-6-9-23(20)25-18-21/h5-6,8-11,13-14,17-18H,3-4,7,12,15-16H2,1-2H3,(H,26,28).
What are the key properties of 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide?
3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide has a molecular weight of 375.52 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 66815460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).